N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine

C63H46N2 — CID 168812030

IUPACN-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccc(C6CCCCC6)cc5-c5cccc6cccc4c56)c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C63H46N2/c1-3-15-41(16-4-1)45-30-36-57-55(38-45)54-25-13-19-43-20-14-27-58(62(43)54)63(57)56-26-11-9-23-50(56)51-34-32-48(39-59(51)63)64(47-31-29-42-17-7-8-18-44(42)37-47)49-33-35-53-52-24-10-12-28-60(52)65(61(53)40-49)46-21-5-2-6-22-46/h2,5-14,17-41H,1,3-4,15-16H2
InChIKeyYANZDSFHYPNIKQ-UHFFFAOYSA-N
MW831.08 g/mol
LogP16.95
Rot. Bonds5

About N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine

N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine (PubChem CID 168812030) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
PubChem CID168812030
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC NameN-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccc(C6CCCCC6)cc5-c5cccc6cccc4c56)c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C63H46N2/c1-3-15-41(16-4-1)45-30-36-57-55(38-45)54-25-13-19-43-20-14-27-58(62(43)54)63(57)56-26-11-9-23-50(56)51-34-32-48(39-59(51)63)64(47-31-29-42-17-7-8-18-44(42)37-47)49-33-35-53-52-24-10-12-28-60(52)65(61(53)40-49)46-21-5-2-6-22-46/h2,5-14,17-41H,1,3-4,15-16H2
InChIKeyYANZDSFHYPNIKQ-UHFFFAOYSA-N
XLogP16.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.08
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine
CID 168811896
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 164732134
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 165008737
4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838041
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174291479
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine
CID 164774305
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174291586
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
7-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 165095817
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696

Frequently Asked Questions

What is the IUPAC name of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine (CID 168812030) is N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccc(C6CCCCC6)cc5-c5cccc6cccc4c56)c4ccc5ccccc5c4)cc32)cc1.
What is the InChIKey of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine?
The InChIKey is YANZDSFHYPNIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-3-15-41(16-4-1)45-30-36-57-55(38-45)54-25-13-19-43-20-14-27-58(62(43)54)63(57)56-26-11-9-23-50(56)51-34-32-48(39-59(51)63)64(47-31-29-42-17-7-8-18-44(42)37-47)49-33-35-53-52-24-10-12-28-60(52)65(61(53)40-49)46-21-5-2-6-22-46/h2,5-14,17-41H,1,3-4,15-16H2.
What are the key properties of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine?
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine has a molecular weight of 831.08 g/mol, XLogP of 16.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 168812030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).