N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine

C45H36N2 — CID 90129003

IUPACN-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
SMILESCn1c2ccccc2c2cc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc(Cc5ccccc5)cc3C4(C)C)ccc21
InChIInChI=1S/C45H36N2/c1-45(2)39-27-31(26-30-14-6-4-7-15-30)22-24-37(39)44-36-20-11-10-18-34(36)43(29-40(44)45)47(32-16-8-5-9-17-32)33-23-25-42-38(28-33)35-19-12-13-21-41(35)46(42)3/h4-25,27-29H,26H2,1-3H3
InChIKeyDTLMXCLBSDATJJ-UHFFFAOYSA-N
MW604.80 g/mol
LogP11.85
Rot. Bonds5

About N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine

N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine (PubChem CID 90129003) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
PubChem CID90129003
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC NameN-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
SMILESCn1c2ccccc2c2cc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc(Cc5ccccc5)cc3C4(C)C)ccc21
InChIInChI=1S/C45H36N2/c1-45(2)39-27-31(26-30-14-6-4-7-15-30)22-24-37(39)44-36-20-11-10-18-34(36)43(29-40(44)45)47(32-16-8-5-9-17-32)33-23-25-42-38(28-33)35-19-12-13-21-41(35)46(42)3/h4-25,27-29H,26H2,1-3H3
InChIKeyDTLMXCLBSDATJJ-UHFFFAOYSA-N
XLogP11.85
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

19-benzyl-12,12,22,22-tetramethyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607942
9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine
CID 90128736
1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine
CID 143607859
N-[7,7-dimethyl-9-(2,4,6-trimethylphenyl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90129053
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90128745
5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 118038912
N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene
CID 144614559
22-ethyl-12,12,22-trimethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 123586227
5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126498124
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130289769

Frequently Asked Questions

What is the IUPAC name of N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine?
The IUPAC name of N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine (CID 90129003) is N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine?
The canonical SMILES for N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine is Cn1c2ccccc2c2cc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc(Cc5ccccc5)cc3C4(C)C)ccc21.
What is the InChIKey of N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine?
The InChIKey is DTLMXCLBSDATJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-45(2)39-27-31(26-30-14-6-4-7-15-30)22-24-37(39)44-36-20-11-10-18-34(36)43(29-40(44)45)47(32-16-8-5-9-17-32)33-23-25-42-38(28-33)35-19-12-13-21-41(35)46(42)3/h4-25,27-29H,26H2,1-3H3.
What are the key properties of N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine?
N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine has a molecular weight of 604.80 g/mol, XLogP of 11.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine is sourced from PubChem (CID 90129003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).