(9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine

C55H41N3 — CID 145167626

IUPAC(9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine
SMILESNC1CC=CC2=C1/C(=C\CC1=CCC(n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc43)C=C1)c1ccccc12
InChIInChI=1S/C55H41N3/c56-50-19-10-18-45-42-15-6-7-16-43(42)46(54(45)50)29-23-35-21-27-40(28-22-35)57-51-20-9-8-17-44(51)48-33-37(25-31-52(48)57)38-26-32-53-49(34-38)47-30-24-36-11-4-5-14-41(36)55(47)58(53)39-12-2-1-3-13-39/h1-18,20-22,24-27,29-34,40,50H,19,23,28,56H2/b46-29-
InChIKeyDNKAMGHCXDNACR-BRSSQEHRSA-N
MW743.95 g/mol
LogP13.67
Rot. Bonds5

About (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine

(9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine (PubChem CID 145167626) has the molecular formula C55H41N3 and a molecular weight of 743.95 g/mol. Its IUPAC name is (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine.

Molecular Properties

Compound Name(9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine
PubChem CID145167626
Molecular FormulaC55H41N3
Molecular Weight743.95 g/mol
Exact Mass743.33
IUPAC Name(9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine
SMILESNC1CC=CC2=C1/C(=C\CC1=CCC(n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc43)C=C1)c1ccccc12
InChIInChI=1S/C55H41N3/c56-50-19-10-18-45-42-15-6-7-16-43(42)46(54(45)50)29-23-35-21-27-40(28-22-35)57-51-20-9-8-17-44(51)48-33-37(25-31-52(48)57)38-26-32-53-49(34-38)47-30-24-36-11-4-5-14-41(36)55(47)58(53)39-12-2-1-3-13-39/h1-18,20-22,24-27,29-34,40,50H,19,23,28,56H2/b46-29-
InChIKeyDNKAMGHCXDNACR-BRSSQEHRSA-N
XLogP13.67
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 513.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine with MolForge

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Related Compounds

(9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine
CID 145167283
11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 145210834
(9Z)-9-[2-[6-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]naphthalen-2-yl]ethylidene]fluoren-1-amine
CID 145167562
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
11-phenyl-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159128944
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
3-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]-9-phenylcarbazole;8-(9-naphthalen-1-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 160934909
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326284

Frequently Asked Questions

What is the IUPAC name of (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine?
The IUPAC name of (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine (CID 145167626) is (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine.
What is the SMILES notation for (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine?
The canonical SMILES for (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine is NC1CC=CC2=C1/C(=C\CC1=CCC(n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc43)C=C1)c1ccccc12.
What is the InChIKey of (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine?
The InChIKey is DNKAMGHCXDNACR-BRSSQEHRSA-N. The full InChI is InChI=1S/C55H41N3/c56-50-19-10-18-45-42-15-6-7-16-43(42)46(54(45)50)29-23-35-21-27-40(28-22-35)57-51-20-9-8-17-44(51)48-33-37(25-31-52(48)57)38-26-32-53-49(34-38)47-30-24-36-11-4-5-14-41(36)55(47)58(53)39-12-2-1-3-13-39/h1-18,20-22,24-27,29-34,40,50H,19,23,28,56H2/b46-29-.
What are the key properties of (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine?
(9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine has a molecular weight of 743.95 g/mol, XLogP of 13.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-[2-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]cyclohexa-1,5-dien-1-yl]ethylidene]-1,2-dihydrofluoren-1-amine is sourced from PubChem (CID 145167626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).