N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine

C46H39N3 — CID 155419839

IUPACN-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine
SMILESCC1C=CC2=C(C1)c1ccc(N(c3ccc(/C=C4\CC=Cc5c4c4ccccc4n5-c4ccccc4)cc3)c3ccccn3)cc1C2(C)C
InChIInChI=1S/C46H39N3/c1-31-19-26-40-39(28-31)37-25-24-36(30-41(37)46(40,2)3)48(44-18-9-10-27-47-44)35-22-20-32(21-23-35)29-33-12-11-17-43-45(33)38-15-7-8-16-42(38)49(43)34-13-5-4-6-14-34/h4-11,13-27,29-31H,12,28H2,1-3H3/b33-29+
InChIKeyNCGUVFSPWRRXRJ-XPXRSFDGSA-N
MW633.84 g/mol
LogP12.09
Rot. Bonds5

About N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine

N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine (PubChem CID 155419839) has the molecular formula C46H39N3 and a molecular weight of 633.84 g/mol. Its IUPAC name is N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine
PubChem CID155419839
Molecular FormulaC46H39N3
Molecular Weight633.84 g/mol
Exact Mass633.31
IUPAC NameN-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine
SMILESCC1C=CC2=C(C1)c1ccc(N(c3ccc(/C=C4\CC=Cc5c4c4ccccc4n5-c4ccccc4)cc3)c3ccccn3)cc1C2(C)C
InChIInChI=1S/C46H39N3/c1-31-19-26-40-39(28-31)37-25-24-36(30-41(37)46(40,2)3)48(44-18-9-10-27-47-44)35-22-20-32(21-23-35)29-33-12-11-17-43-45(33)38-15-7-8-16-42(38)49(43)34-13-5-4-6-14-34/h4-11,13-27,29-31H,12,28H2,1-3H3/b33-29+
InChIKeyNCGUVFSPWRRXRJ-XPXRSFDGSA-N
XLogP12.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.84
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine
CID 137396964
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine
CID 146669743
6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine
CID 138737474
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 158069136
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole
CID 166957464
6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine
CID 130379068
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine;methane
CID 160706039
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine
CID 155207418
9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166906503
N-[4-[2-[11,11-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazol-9-yl]ethynyl]phenyl]-N-phenylpyridin-2-amine
CID 71250162

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine?
The IUPAC name of N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine (CID 155419839) is N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine?
The canonical SMILES for N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine is CC1C=CC2=C(C1)c1ccc(N(c3ccc(/C=C4\CC=Cc5c4c4ccccc4n5-c4ccccc4)cc3)c3ccccn3)cc1C2(C)C.
What is the InChIKey of N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine?
The InChIKey is NCGUVFSPWRRXRJ-XPXRSFDGSA-N. The full InChI is InChI=1S/C46H39N3/c1-31-19-26-40-39(28-31)37-25-24-36(30-41(37)46(40,2)3)48(44-18-9-10-27-47-44)35-22-20-32(21-23-35)29-33-12-11-17-43-45(33)38-15-7-8-16-42(38)49(43)34-13-5-4-6-14-34/h4-11,13-27,29-31H,12,28H2,1-3H3/b33-29+.
What are the key properties of N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine?
N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine has a molecular weight of 633.84 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine is sourced from PubChem (CID 155419839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).