N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine

C73H52N2O — CID 118614739

IUPACN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)-c4ccccc4C64c5ccccc5Oc5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C73H52N2O/c1-71(2)55-25-11-9-23-50(55)69-60(71)30-18-32-64(69)75(65-33-19-31-61-70(65)51-24-10-12-26-56(51)72(61,3)4)48-39-36-45(37-40-48)46-38-41-63-53(42-46)54-43-62-52(44-66(54)74(63)47-20-6-5-7-21-47)49-22-8-13-27-57(49)73(62)58-28-14-16-34-67(58)76-68-35-17-15-29-59(68)73/h5-44H,1-4H3
InChIKeyFGVLMZAHJJZFGK-UHFFFAOYSA-N
MW973.23 g/mol
LogP19.00
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine (PubChem CID 118614739) has the molecular formula C73H52N2O and a molecular weight of 973.23 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine
PubChem CID118614739
Molecular FormulaC73H52N2O
Molecular Weight973.23 g/mol
Exact Mass972.41
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)-c4ccccc4C64c5ccccc5Oc5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C73H52N2O/c1-71(2)55-25-11-9-23-50(55)69-60(71)30-18-32-64(69)75(65-33-19-31-61-70(65)51-24-10-12-26-56(51)72(61,3)4)48-39-36-45(37-40-48)46-38-41-63-53(42-46)54-43-62-52(44-66(54)74(63)47-20-6-5-7-21-47)49-22-8-13-27-57(49)73(62)58-28-14-16-34-67(58)76-68-35-17-15-29-59(68)73/h5-44H,1-4H3
InChIKeyFGVLMZAHJJZFGK-UHFFFAOYSA-N
XLogP19.00
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.23
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
CID 126702904
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine
CID 140910652
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794173
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 167177926
N-(9,9-dimethylfluoren-4-yl)-15,15-dimethyl-11-phenyl-N-(4-phenylphenyl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-amine
CID 135273915
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 145271614
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine (CID 118614739) is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)-c4ccccc4C64c5ccccc5Oc5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine?
The InChIKey is FGVLMZAHJJZFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N2O/c1-71(2)55-25-11-9-23-50(55)69-60(71)30-18-32-64(69)75(65-33-19-31-61-70(65)51-24-10-12-26-56(51)72(61,3)4)48-39-36-45(37-40-48)46-38-41-63-53(42-46)54-43-62-52(44-66(54)74(63)47-20-6-5-7-21-47)49-22-8-13-27-57(49)73(62)58-28-14-16-34-67(58)76-68-35-17-15-29-59(68)73/h5-44H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine?
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine has a molecular weight of 973.23 g/mol, XLogP of 19.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 118614739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).