N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine

C65H53N — CID 90277980

IUPACN-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
SMILESCc1ccc(C)c(-c2cc3c(c4ccccc24)-c2ccc(N(c4ccc5c(c4)C(C)(C)c4cc6ccccc6cc4-5)c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)cc2C3(C)C)c1
InChIInChI=1S/C65H53N/c1-38-21-22-39(2)52(31-38)53-37-60-62(49-20-14-13-19-47(49)53)51-29-26-45(36-59(51)65(60,7)8)66(43-24-27-48-54-32-41-16-9-10-17-42(41)33-56(54)64(5,6)57(48)34-43)44-25-28-50-58(35-44)63(3,4)55-30-23-40-15-11-12-18-46(40)61(50)55/h9-37H,1-8H3
InChIKeySBYZOECQRKYBDV-UHFFFAOYSA-N
MW848.15 g/mol
LogP17.82
Rot. Bonds4

About N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine

N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine (PubChem CID 90277980) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
PubChem CID90277980
Molecular FormulaC65H53N
Molecular Weight848.15 g/mol
Exact Mass847.42
IUPAC NameN-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
SMILESCc1ccc(C)c(-c2cc3c(c4ccccc24)-c2ccc(N(c4ccc5c(c4)C(C)(C)c4cc6ccccc6cc4-5)c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)cc2C3(C)C)c1
InChIInChI=1S/C65H53N/c1-38-21-22-39(2)52(31-38)53-37-60-62(49-20-14-13-19-47(49)53)51-29-26-45(36-59(51)65(60,7)8)66(43-24-27-48-54-32-41-16-9-10-17-42(41)33-56(54)64(5,6)57(48)34-43)44-25-28-50-58(35-44)63(3,4)55-30-23-40-15-11-12-18-46(40)61(50)55/h9-37H,1-8H3
InChIKeySBYZOECQRKYBDV-UHFFFAOYSA-N
XLogP17.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.15
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine with MolForge

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Related Compounds

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290624
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[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-19-amine
CID 130290138
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
CID 164794440
7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
CID 143561123
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290737
N-(12,12-dimethyl-19-hexacyclo[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-undecaenyl)-N-(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[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-19-amine
CID 153293480
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[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 158086959
7,9,9-trimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 70902516
12,12,22,22-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)hexacyclo[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-19-amine
CID 118122815
CID 168838213
CID 168838213
6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 159750454

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
The IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine (CID 90277980) is N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine is Cc1ccc(C)c(-c2cc3c(c4ccccc24)-c2ccc(N(c4ccc5c(c4)C(C)(C)c4cc6ccccc6cc4-5)c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)cc2C3(C)C)c1.
What is the InChIKey of N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
The InChIKey is SBYZOECQRKYBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-38-21-22-39(2)52(31-38)53-37-60-62(49-20-14-13-19-47(49)53)51-29-26-45(36-59(51)65(60,7)8)66(43-24-27-48-54-32-41-16-9-10-17-42(41)33-56(54)64(5,6)57(48)34-43)44-25-28-50-58(35-44)63(3,4)55-30-23-40-15-11-12-18-46(40)61(50)55/h9-37H,1-8H3.
What are the key properties of N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine has a molecular weight of 848.15 g/mol, XLogP of 17.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine is sourced from PubChem (CID 90277980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).