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

C65H50N2 — CID 156578406

IUPAC6-(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
SMILESCc1cc2c(cc1-c1ccc(-n3c4ccccc4c4ccccc43)cc1)-c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1C21C2CC3CC4CC1C42C3
InChIInChI=1S/C65H50N2/c1-41-34-59-57(39-55(41)47-24-30-51(31-25-47)67-60-18-10-8-16-53(60)54-17-9-11-19-61(54)67)56-38-52(32-33-58(56)65(59)62-36-42-35-48-37-63(65)64(48,62)40-42)66(49-26-20-45(21-27-49)43-12-4-2-5-13-43)50-28-22-46(23-29-50)44-14-6-3-7-15-44/h2-34,38-39,42,48,62-63H,35-37,40H2,1H3
InChIKeyKKCSANOOLDMLSP-UHFFFAOYSA-N
MW859.13 g/mol
LogP16.90
Rot. Bonds7

About 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

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 (PubChem CID 156578406) has the molecular formula C65H50N2 and a molecular weight of 859.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID156578406
Molecular FormulaC65H50N2
Molecular Weight859.13 g/mol
Exact Mass858.40
IUPAC Name6-(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
SMILESCc1cc2c(cc1-c1ccc(-n3c4ccccc4c4ccccc43)cc1)-c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1C21C2CC3CC4CC1C42C3
InChIInChI=1S/C65H50N2/c1-41-34-59-57(39-55(41)47-24-30-51(31-25-47)67-60-18-10-8-16-53(60)54-17-9-11-19-61(54)67)56-38-52(32-33-58(56)65(59)62-36-42-35-48-37-63(65)64(48,62)40-42)66(49-26-20-45(21-27-49)43-12-4-2-5-13-43)50-28-22-46(23-29-50)44-14-6-3-7-15-44/h2-34,38-39,42,48,62-63H,35-37,40H2,1H3
InChIKeyKKCSANOOLDMLSP-UHFFFAOYSA-N
XLogP16.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.13
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

9-phenyl-N-[2-phenyl-4-[6'-(2-phenyl-N-[9-[3-[6-[N-(2-phenylphenyl)-4-(4-phenylphenyl)anilino]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-yl]phenyl]carbazol-3-yl]anilino)spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-N-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazol-2-amine
CID 156568180
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-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine
CID 156567473
9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine
CID 170304350
N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine
CID 156567823
(7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine
CID 170304460
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
CID 159039073
CID 159039073
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(cc1-c1ccc(-n3c4ccccc4c4ccccc43)cc1)-c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1C21C2CC3CC4CC1C42C3.
What is the InChIKey of 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?
The InChIKey is KKCSANOOLDMLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2/c1-41-34-59-57(39-55(41)47-24-30-51(31-25-47)67-60-18-10-8-16-53(60)54-17-9-11-19-61(54)67)56-38-52(32-33-58(56)65(59)62-36-42-35-48-37-63(65)64(48,62)40-42)66(49-26-20-45(21-27-49)43-12-4-2-5-13-43)50-28-22-46(23-29-50)44-14-6-3-7-15-44/h2-34,38-39,42,48,62-63H,35-37,40H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 859.13 g/mol, XLogP of 16.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156578406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).