N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine

C43H34N2 — CID 70883649

IUPACN-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2C2=CC=CCC21
InChIInChI=1S/C43H34N2/c1-43(2)39-18-10-8-16-35(39)36-24-22-34(28-40(36)43)44(32-21-20-29-12-6-7-13-30(29)26-32)33-23-25-42-38(27-33)37-17-9-11-19-41(37)45(42)31-14-4-3-5-15-31/h3-17,19-28,39H,18H2,1-2H3
InChIKeyYLENBZZOBLITSY-UHFFFAOYSA-N
MW578.76 g/mol
LogP11.66
Rot. Bonds4

About N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine

N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine (PubChem CID 70883649) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
PubChem CID70883649
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC NameN-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2C2=CC=CCC21
InChIInChI=1S/C43H34N2/c1-43(2)39-18-10-8-16-35(39)36-24-22-34(28-40(36)43)44(32-21-20-29-12-6-7-13-30(29)26-32)33-23-25-42-38(27-33)37-17-9-11-19-41(37)45(42)31-14-4-3-5-15-31/h3-17,19-28,39H,18H2,1-2H3
InChIKeyYLENBZZOBLITSY-UHFFFAOYSA-N
XLogP11.66
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-[4-(9-methylfluoren-9-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 129293001
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 118289290
N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 89417823
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
N-naphthalen-2-yl-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-3-amine
CID 167357254
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine (CID 70883649) is N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine is CC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2C2=CC=CCC21.
What is the InChIKey of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
The InChIKey is YLENBZZOBLITSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-43(2)39-18-10-8-16-35(39)36-24-22-34(28-40(36)43)44(32-21-20-29-12-6-7-13-30(29)26-32)33-23-25-42-38(27-33)37-17-9-11-19-41(37)45(42)31-14-4-3-5-15-31/h3-17,19-28,39H,18H2,1-2H3.
What are the key properties of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine has a molecular weight of 578.76 g/mol, XLogP of 11.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 70883649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).