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9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine

C52H43N3 — CID 144619497

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine
SMILESCC1C=C2C(=CC1)c1ccc(N(c3ccc4c(c3)c3ccccc3n4C3=CCCC=C3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C52H43N3/c1-34-22-26-40-41-27-23-39(33-47(41)52(2,3)46(40)30-34)53(37-24-28-50-44(31-37)42-18-10-12-20-48(42)54(50)35-14-6-4-7-15-35)38-25-29-51-45(32-38)43-19-11-13-21-49(43)55(51)36-16-8-5-9-17-36/h4,6-8,10-21,23-34H,5,9,22H2,1-3H3
InChIKeyFLJHMZWKTXUUIU-UHFFFAOYSA-N
MW709.94 g/mol
LogP14.19
Rot. Bonds5

About 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine

9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine (PubChem CID 144619497) has the molecular formula C52H43N3 and a molecular weight of 709.94 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine
PubChem CID144619497
Molecular FormulaC52H43N3
Molecular Weight709.94 g/mol
Exact Mass709.35
IUPAC Name9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine
SMILESCC1C=C2C(=CC1)c1ccc(N(c3ccc4c(c3)c3ccccc3n4C3=CCCC=C3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C52H43N3/c1-34-22-26-40-41-27-23-39(33-47(41)52(2,3)46(40)30-34)53(37-24-28-50-44(31-37)42-18-10-12-20-48(42)54(50)35-14-6-4-7-15-35)38-25-29-51-45(32-38)43-19-11-13-21-49(43)55(51)36-16-8-5-9-17-36/h4,6-8,10-21,23-34H,5,9,22H2,1-3H3
InChIKeyFLJHMZWKTXUUIU-UHFFFAOYSA-N
XLogP14.19
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.94
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine (CID 144619497) is 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine is CC1C=C2C(=CC1)c1ccc(N(c3ccc4c(c3)c3ccccc3n4C3=CCCC=C3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1C2(C)C.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine?
The InChIKey is FLJHMZWKTXUUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N3/c1-34-22-26-40-41-27-23-39(33-47(41)52(2,3)46(40)30-34)53(37-24-28-50-44(31-37)42-18-10-12-20-48(42)54(50)35-14-6-4-7-15-35)38-25-29-51-45(32-38)43-19-11-13-21-49(43)55(51)36-16-8-5-9-17-36/h4,6-8,10-21,23-34H,5,9,22H2,1-3H3.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine?
9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine has a molecular weight of 709.94 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine is sourced from PubChem (CID 144619497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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