9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine

C59H46N2 — CID 156567473

IUPAC9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-3-11-39(12-4-1)40-19-21-41(22-20-40)42-23-25-46(26-24-42)60(48-27-29-51-50-16-8-10-18-55(50)61(56(51)35-48)45-13-5-2-6-14-45)47-28-30-54-52(34-47)49-15-7-9-17-53(49)59(54)44-32-38-31-43-33-57(59)58(43,36-38)37-44/h1-30,34-35,38,43-44,57H,31-33,36-37H2
InChIKeyGRRVKVCSJPKGOY-UHFFFAOYSA-N
MW783.03 g/mol
LogP15.31
Rot. Bonds6

About 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine

9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine (PubChem CID 156567473) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine
PubChem CID156567473
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC Name9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-3-11-39(12-4-1)40-19-21-41(22-20-40)42-23-25-46(26-24-42)60(48-27-29-51-50-16-8-10-18-55(50)61(56(51)35-48)45-13-5-2-6-14-45)47-28-30-54-52(34-47)49-15-7-9-17-53(49)59(54)44-32-38-31-43-33-57(59)58(43,36-38)37-44/h1-30,34-35,38,43-44,57H,31-33,36-37H2
InChIKeyGRRVKVCSJPKGOY-UHFFFAOYSA-N
XLogP15.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.03
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)aniline
CID 156567839
9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568063
N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine
CID 156567588
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
N-[4-[3-[9-[4-[4-[3-[6-[4-[dibenzothiophen-3-yl(spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-yl)amino]phenyl]dibenzofuran-1-yl]carbazol-9-yl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylanilino]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-9-phenyl-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine
CID 156568070
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
CID 156568185
N-(4-phenylphenyl)-N-[4-[4-(3-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 156568159
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
CID 156567857
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine?
The IUPAC name of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine (CID 156567473) is 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine?
The canonical SMILES for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine?
The InChIKey is GRRVKVCSJPKGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2/c1-3-11-39(12-4-1)40-19-21-41(22-20-40)42-23-25-46(26-24-42)60(48-27-29-51-50-16-8-10-18-55(50)61(56(51)35-48)45-13-5-2-6-14-45)47-28-30-54-52(34-47)49-15-7-9-17-53(49)59(54)44-32-38-31-43-33-57(59)58(43,36-38)37-44/h1-30,34-35,38,43-44,57H,31-33,36-37H2.
What are the key properties of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine?
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine has a molecular weight of 783.03 g/mol, XLogP of 15.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine is sourced from PubChem (CID 156567473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).