1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine

C104H72N4 — CID 156553756

IUPAC1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc(N(c8ccc(N(c9ccccc9)c9ccccc9)cc8)c8cccc(-c9ccccc9)c8)cc7)ccc6-5)c5ccccc5C5c6ccccc6-c6cccc4c65)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C104H72N4/c1-7-26-72(27-8-1)76-30-23-40-90(68-76)107(88-62-58-86(59-63-88)105(80-32-11-3-12-33-80)81-34-13-4-14-35-81)84-54-48-74(49-55-84)78-52-66-93-94-67-53-79(71-101(94)104(100(93)70-78)98-46-22-21-44-97(98)102-95-43-20-19-42-92(95)96-45-25-47-99(104)103(96)102)75-50-56-85(57-51-75)108(91-41-24-31-77(69-91)73-28-9-2-10-29-73)89-64-60-87(61-65-89)106(82-36-15-5-16-37-82)83-38-17-6-18-39-83/h1-71,102H
InChIKeyTYSMSRQWMNUCFO-UHFFFAOYSA-N
MW1377.75 g/mol
LogP28.07
Rot. Bonds16

About 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine

1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine (PubChem CID 156553756) has the molecular formula C104H72N4 and a molecular weight of 1377.75 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine
PubChem CID156553756
Molecular FormulaC104H72N4
Molecular Weight1377.75 g/mol
Exact Mass1376.58
IUPAC Name1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc(N(c8ccc(N(c9ccccc9)c9ccccc9)cc8)c8cccc(-c9ccccc9)c8)cc7)ccc6-5)c5ccccc5C5c6ccccc6-c6cccc4c65)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C104H72N4/c1-7-26-72(27-8-1)76-30-23-40-90(68-76)107(88-62-58-86(59-63-88)105(80-32-11-3-12-33-80)81-34-13-4-14-35-81)84-54-48-74(49-55-84)78-52-66-93-94-67-53-79(71-101(94)104(100(93)70-78)98-46-22-21-44-97(98)102-95-43-20-19-42-92(95)96-45-25-47-99(104)103(96)102)75-50-56-85(57-51-75)108(91-41-24-31-77(69-91)73-28-9-2-10-29-73)89-64-60-87(61-65-89)106(82-36-15-5-16-37-82)83-38-17-6-18-39-83/h1-71,102H
InChIKeyTYSMSRQWMNUCFO-UHFFFAOYSA-N
XLogP28.07
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001377.75
LogP ≤ 528.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine with MolForge

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Related Compounds

N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 121340784
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine (CID 156553756) is 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc(N(c8ccc(N(c9ccccc9)c9ccccc9)cc8)c8cccc(-c9ccccc9)c8)cc7)ccc6-5)c5ccccc5C5c6ccccc6-c6cccc4c65)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The InChIKey is TYSMSRQWMNUCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H72N4/c1-7-26-72(27-8-1)76-30-23-40-90(68-76)107(88-62-58-86(59-63-88)105(80-32-11-3-12-33-80)81-34-13-4-14-35-81)84-54-48-74(49-55-84)78-52-66-93-94-67-53-79(71-101(94)104(100(93)70-78)98-46-22-21-44-97(98)102-95-43-20-19-42-92(95)96-45-25-47-99(104)103(96)102)75-50-56-85(57-51-75)108(91-41-24-31-77(69-91)73-28-9-2-10-29-73)89-64-60-87(61-65-89)106(82-36-15-5-16-37-82)83-38-17-6-18-39-83/h1-71,102H.
What are the key properties of 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine?
1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine has a molecular weight of 1377.75 g/mol, XLogP of 28.07, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 156553756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).