4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine

C207H146N6O6 — CID 158594028

IUPAC4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5Oc5c(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cccc54)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4c(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3Oc3c(N(c4ccccc4)c4ccccc4)cccc32)cc1
InChIInChI=1S/C85H62N2O2.C73H50N2O2.C49H34N2O2/c1-83(2)70-32-13-11-30-66(70)68-47-42-60(52-75(68)83)57-40-43-61(44-41-57)86(62-28-19-26-58(50-62)55-22-7-5-8-23-55)64-46-49-81-77(54-64)85(72-34-15-17-38-79(72)88-81)73-35-16-18-39-80(73)89-82-74(85)36-21-37-78(82)87(63-29-20-27-59(51-63)56-24-9-6-10-25-56)65-45-48-69-67-31-12-14-33-71(67)84(3,4)76(69)53-65;1-5-20-51(21-6-1)55-38-42-59(43-39-55)74(60-44-40-56(41-45-60)52-22-7-2-8-23-52)63-46-47-66-71(50-63)76-69-36-15-13-32-64(69)73(66)65-33-14-16-37-70(65)77-72-67(73)34-19-35-68(72)75(61-30-17-28-57(48-61)53-24-9-3-10-25-53)62-31-18-29-58(49-62)54-26-11-4-12-27-54;1-5-18-35(19-6-1)50(36-20-7-2-8-21-36)39-32-33-47-43(34-39)49(40-26-13-15-30-45(40)52-47)41-27-14-16-31-46(41)53-48-42(49)28-17-29-44(48)51(37-22-9-3-10-23-37)38-24-11-4-12-25-38/h5-54H,1-4H3;1-50H;1-34H
InChIKeyHUUIQANJGKTIOD-UHFFFAOYSA-N
MW2813.48 g/mol
LogP55.94
Rot. Bonds25

About 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine

4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine (PubChem CID 158594028) has the molecular formula C207H146N6O6 and a molecular weight of 2813.48 g/mol. Its IUPAC name is 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine
PubChem CID158594028
Molecular FormulaC207H146N6O6
Molecular Weight2813.48 g/mol
Exact Mass2811.13
IUPAC Name4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5Oc5c(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cccc54)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4c(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3Oc3c(N(c4ccccc4)c4ccccc4)cccc32)cc1
InChIInChI=1S/C85H62N2O2.C73H50N2O2.C49H34N2O2/c1-83(2)70-32-13-11-30-66(70)68-47-42-60(52-75(68)83)57-40-43-61(44-41-57)86(62-28-19-26-58(50-62)55-22-7-5-8-23-55)64-46-49-81-77(54-64)85(72-34-15-17-38-79(72)88-81)73-35-16-18-39-80(73)89-82-74(85)36-21-37-78(82)87(63-29-20-27-59(51-63)56-24-9-6-10-25-56)65-45-48-69-67-31-12-14-33-71(67)84(3,4)76(69)53-65;1-5-20-51(21-6-1)55-38-42-59(43-39-55)74(60-44-40-56(41-45-60)52-22-7-2-8-23-52)63-46-47-66-71(50-63)76-69-36-15-13-32-64(69)73(66)65-33-14-16-37-70(65)77-72-67(73)34-19-35-68(72)75(61-30-17-28-57(48-61)53-24-9-3-10-25-53)62-31-18-29-58(49-62)54-26-11-4-12-27-54;1-5-18-35(19-6-1)50(36-20-7-2-8-21-36)39-32-33-47-43(34-39)49(40-26-13-15-30-45(40)52-47)41-27-14-16-31-46(41)53-48-42(49)28-17-29-44(48)51(37-22-9-3-10-23-37)38-24-11-4-12-25-38/h5-54H,1-4H3;1-50H;1-34H
InChIKeyHUUIQANJGKTIOD-UHFFFAOYSA-N
XLogP55.94
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002813.48
LogP ≤ 555.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine
CID 146333663
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-naphthalen-2-yl-9,9-diphenyl-N-(4-phenylphenyl)xanthen-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 161132857
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 121391814
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240505
4-N-[3-[2'-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-yl]phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)-1-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine
CID 129309143
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 167177926
N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 157220959

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine?
The IUPAC name of 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine (CID 158594028) is 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine.
What is the SMILES notation for 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine?
The canonical SMILES for 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5Oc5c(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cccc54)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4c(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3Oc3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.
What is the InChIKey of 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine?
The InChIKey is HUUIQANJGKTIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H62N2O2.C73H50N2O2.C49H34N2O2/c1-83(2)70-32-13-11-30-66(70)68-47-42-60(52-75(68)83)57-40-43-61(44-41-57)86(62-28-19-26-58(50-62)55-22-7-5-8-23-55)64-46-49-81-77(54-64)85(72-34-15-17-38-79(72)88-81)73-35-16-18-39-80(73)89-82-74(85)36-21-37-78(82)87(63-29-20-27-59(51-63)56-24-9-6-10-25-56)65-45-48-69-67-31-12-14-33-71(67)84(3,4)76(69)53-65;1-5-20-51(21-6-1)55-38-42-59(43-39-55)74(60-44-40-56(41-45-60)52-22-7-2-8-23-52)63-46-47-66-71(50-63)76-69-36-15-13-32-64(69)73(66)65-33-14-16-37-70(65)77-72-67(73)34-19-35-68(72)75(61-30-17-28-57(48-61)53-24-9-3-10-25-53)62-31-18-29-58(49-62)54-26-11-4-12-27-54;1-5-18-35(19-6-1)50(36-20-7-2-8-21-36)39-32-33-47-43(34-39)49(40-26-13-15-30-45(40)52-47)41-27-14-16-31-46(41)53-48-42(49)28-17-29-44(48)51(37-22-9-3-10-23-37)38-24-11-4-12-25-38/h5-54H,1-4H3;1-50H;1-34H.
What are the key properties of 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine?
4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine has a molecular weight of 2813.48 g/mol, XLogP of 55.94, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine is sourced from PubChem (CID 158594028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).