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

C59H46N2 — CID 156567839

IUPACN-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-2-10-39(11-3-1)40-18-23-45(24-19-40)60(47-27-29-48(30-28-47)61-55-16-8-5-13-50(55)51-14-6-9-17-56(51)61)46-25-20-41(21-26-46)42-22-31-54-52(34-42)49-12-4-7-15-53(49)59(54)44-33-38-32-43-35-57(59)58(43,36-38)37-44/h1-31,34,38,43-44,57H,32-33,35-37H2
InChIKeyNBMNFSXFTXDDHX-UHFFFAOYSA-N
MW783.03 g/mol
LogP15.31
Rot. Bonds6

About 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

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 (PubChem CID 156567839) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)aniline
PubChem CID156567839
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-2-10-39(11-3-1)40-18-23-45(24-19-40)60(47-27-29-48(30-28-47)61-55-16-8-5-13-50(55)51-14-6-9-17-56(51)61)46-25-20-41(21-26-46)42-22-31-54-52(34-42)49-12-4-7-15-53(49)59(54)44-33-38-32-43-35-57(59)58(43,36-38)37-44/h1-31,34,38,43-44,57H,32-33,35-37H2
InChIKeyNBMNFSXFTXDDHX-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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
CID 159039073
CID 159039073
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
6-(4-carbazol-9-ylphenyl)-7-methyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine
CID 156578406

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is NBMNFSXFTXDDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2/c1-2-10-39(11-3-1)40-18-23-45(24-19-40)60(47-27-29-48(30-28-47)61-55-16-8-5-13-50(55)51-14-6-9-17-56(51)61)46-25-20-41(21-26-46)42-22-31-54-52(34-42)49-12-4-7-15-53(49)59(54)44-33-38-32-43-35-57(59)58(43,36-38)37-44/h1-31,34,38,43-44,57H,32-33,35-37H2.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 156567839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).