6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine

C50H40N2 — CID 130379068

IUPAC6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine
SMILESCC1C=CC2=C(C1)c1ccc(Nc3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4)cc3)cc1C2(C)C
InChIInChI=1S/C50H40N2/c1-32-13-26-45-43(29-32)42-25-24-39(31-46(42)50(45,2)3)51-38-22-18-34(19-23-38)33-14-16-35(17-15-33)37-21-27-47-44(30-37)49-41-12-8-7-9-36(41)20-28-48(49)52(47)40-10-5-4-6-11-40/h4-28,30-32,51H,29H2,1-3H3
InChIKeyYAKAJHJGLSAMHR-UHFFFAOYSA-N
MW668.88 g/mol
LogP13.66
Rot. Bonds5

About 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine

6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine (PubChem CID 130379068) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine.

Molecular Properties

Compound Name6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine
PubChem CID130379068
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC Name6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine
SMILESCC1C=CC2=C(C1)c1ccc(Nc3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4)cc3)cc1C2(C)C
InChIInChI=1S/C50H40N2/c1-32-13-26-45-43(29-32)42-25-24-39(31-46(42)50(45,2)3)51-38-22-18-34(19-23-38)33-14-16-35(17-15-33)37-21-27-47-44(30-37)49-41-12-8-7-9-36(41)20-28-48(49)52(47)40-10-5-4-6-11-40/h4-28,30-32,51H,29H2,1-3H3
InChIKeyYAKAJHJGLSAMHR-UHFFFAOYSA-N
XLogP13.66
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 513.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine
CID 138737474
7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 146211458
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
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
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,11,11-trimethyl-7,8-dihydroindeno[1,2-b]carbazole
CID 166957464
9-(9,9-dimethylfluoren-2-yl)-N-phenylcarbazol-3-amine;N,11-diphenylbenzo[a]carbazol-8-amine;N,9-diphenylcarbazol-3-amine;N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 159034865
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282038
11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine
CID 135169249

Frequently Asked Questions

What is the IUPAC name of 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine?
The IUPAC name of 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine (CID 130379068) is 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine.
What is the SMILES notation for 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine?
The canonical SMILES for 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine is CC1C=CC2=C(C1)c1ccc(Nc3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4)cc3)cc1C2(C)C.
What is the InChIKey of 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine?
The InChIKey is YAKAJHJGLSAMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-32-13-26-45-43(29-32)42-25-24-39(31-46(42)50(45,2)3)51-38-22-18-34(19-23-38)33-14-16-35(17-15-33)37-21-27-47-44(30-37)49-41-12-8-7-9-36(41)20-28-48(49)52(47)40-10-5-4-6-11-40/h4-28,30-32,51H,29H2,1-3H3.
What are the key properties of 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine?
6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine has a molecular weight of 668.88 g/mol, XLogP of 13.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-5,6-dihydrofluoren-2-amine is sourced from PubChem (CID 130379068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).