7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine

C165H115N5 — CID 161083685

IUPAC7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine
SMILESC1=CC2c3ccc(N(c4ccccc4)c4ccccc4)cc3N(c3ccccc3)C2C=C1c1ccc2c(c1)-c1cccc3cccc(c13)C2.c1ccc(N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc(c35)C4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc(c35)C4)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc2c(c1)Cc1cccc3cccc-2c13
InChIInChI=1S/C54H37N.C47H34N2.C47H32N2.C17H12/c1-4-17-42(18-5-1)54(43-19-6-2-7-20-43)51-25-11-10-23-47(51)48-33-32-46(36-52(48)54)55(44-21-8-3-9-22-44)45-30-28-37(29-31-45)39-26-27-40-34-41-16-12-14-38-15-13-24-49(53(38)41)50(40)35-39;1-4-15-37(16-5-1)48(38-17-6-2-7-18-38)40-25-27-42-41-26-24-34(30-45(41)49(46(42)31-40)39-19-8-3-9-20-39)33-22-23-35-28-36-14-10-12-32-13-11-21-43(47(32)36)44(35)29-33;1-3-14-37(15-4-1)48(40-27-28-42-41-18-7-8-20-45(41)49(46(42)31-40)38-16-5-2-6-17-38)39-25-23-32(24-26-39)34-21-22-35-29-36-13-9-11-33-12-10-19-43(47(33)36)44(35)30-34;1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-33,35-36H,34H2;1-27,29-31,41,45H,28H2;1-28,30-31H,29H2;1-10H,11H2
InChIKeyUGFQDYXUWPFDML-UHFFFAOYSA-N
MW2167.77 g/mol
LogP43.10
Rot. Bonds16

About 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine

7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine (PubChem CID 161083685) has the molecular formula C165H115N5 and a molecular weight of 2167.77 g/mol. Its IUPAC name is 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine.

Molecular Properties

Compound Name7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine
PubChem CID161083685
Molecular FormulaC165H115N5
Molecular Weight2167.77 g/mol
Exact Mass2165.92
IUPAC Name7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine
SMILESC1=CC2c3ccc(N(c4ccccc4)c4ccccc4)cc3N(c3ccccc3)C2C=C1c1ccc2c(c1)-c1cccc3cccc(c13)C2.c1ccc(N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc(c35)C4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc(c35)C4)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc2c(c1)Cc1cccc3cccc-2c13
InChIInChI=1S/C54H37N.C47H34N2.C47H32N2.C17H12/c1-4-17-42(18-5-1)54(43-19-6-2-7-20-43)51-25-11-10-23-47(51)48-33-32-46(36-52(48)54)55(44-21-8-3-9-22-44)45-30-28-37(29-31-45)39-26-27-40-34-41-16-12-14-38-15-13-24-49(53(38)41)50(40)35-39;1-4-15-37(16-5-1)48(38-17-6-2-7-18-38)40-25-27-42-41-26-24-34(30-45(41)49(46(42)31-40)39-19-8-3-9-20-39)33-22-23-35-28-36-14-10-12-32-13-11-21-43(47(32)36)44(35)29-33;1-3-14-37(15-4-1)48(40-27-28-42-41-18-7-8-20-45(41)49(46(42)31-40)38-16-5-2-6-17-38)39-25-23-32(24-26-39)34-21-22-35-29-36-13-9-11-33-12-10-19-43(47(33)36)44(35)30-34;1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-33,35-36H,34H2;1-27,29-31,41,45H,28H2;1-28,30-31H,29H2;1-10H,11H2
InChIKeyUGFQDYXUWPFDML-UHFFFAOYSA-N
XLogP43.10
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002167.77
LogP ≤ 543.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine with MolForge

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Related Compounds

N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
N,9,9-triphenyl-N-[4-(5-phenylbenzo[b]carbazol-2-yl)phenyl]fluoren-2-amine
CID 139573020
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 166565681
N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine
CID 167036284
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166566306
N-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 166036387
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 160503630
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375458

Frequently Asked Questions

What is the IUPAC name of 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine?
The IUPAC name of 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine (CID 161083685) is 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine.
What is the SMILES notation for 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine?
The canonical SMILES for 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine is C1=CC2c3ccc(N(c4ccccc4)c4ccccc4)cc3N(c3ccccc3)C2C=C1c1ccc2c(c1)-c1cccc3cccc(c13)C2.c1ccc(N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc(c35)C4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc(c35)C4)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc2c(c1)Cc1cccc3cccc-2c13.
What is the InChIKey of 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine?
The InChIKey is UGFQDYXUWPFDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N.C47H34N2.C47H32N2.C17H12/c1-4-17-42(18-5-1)54(43-19-6-2-7-20-43)51-25-11-10-23-47(51)48-33-32-46(36-52(48)54)55(44-21-8-3-9-22-44)45-30-28-37(29-31-45)39-26-27-40-34-41-16-12-14-38-15-13-24-49(53(38)41)50(40)35-39;1-4-15-37(16-5-1)48(38-17-6-2-7-18-38)40-25-27-42-41-26-24-34(30-45(41)49(46(42)31-40)39-19-8-3-9-20-39)33-22-23-35-28-36-14-10-12-32-13-11-21-43(47(32)36)44(35)29-33;1-3-14-37(15-4-1)48(40-27-28-42-41-18-7-8-20-45(41)49(46(42)31-40)38-16-5-2-6-17-38)39-25-23-32(24-26-39)34-21-22-35-29-36-13-9-11-33-12-10-19-43(47(33)36)44(35)30-34;1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-33,35-36H,34H2;1-27,29-31,41,45H,28H2;1-28,30-31H,29H2;1-10H,11H2.
What are the key properties of 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine?
7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine has a molecular weight of 2167.77 g/mol, XLogP of 43.10, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[a]phenalene;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-(7H-benzo[a]phenalen-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;7-(7H-benzo[a]phenalen-10-yl)-N,N,9-triphenyl-4b,8a-dihydrocarbazol-2-amine is sourced from PubChem (CID 161083685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).