N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine

C55H45N — CID 167232083

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4cccc5c4c3-c3ccc(-c4ccccc4)cc3C5(C)C)cc21
InChIInChI=1S/C55H45N/c1-53(2)44-20-12-10-18-39(44)41-28-25-37(32-48(41)53)56(38-26-29-42-40-19-11-13-21-45(40)54(3,4)49(42)33-38)50-30-24-35-17-14-22-46-51(35)52(50)43-27-23-36(31-47(43)55(46,5)6)34-15-8-7-9-16-34/h7-33H,1-6H3
InChIKeyRDVYGSZZZABJSB-UHFFFAOYSA-N
MW719.97 g/mol
LogP14.90
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine (PubChem CID 167232083) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
PubChem CID167232083
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4cccc5c4c3-c3ccc(-c4ccccc4)cc3C5(C)C)cc21
InChIInChI=1S/C55H45N/c1-53(2)44-20-12-10-18-39(44)41-28-25-37(32-48(41)53)56(38-26-29-42-40-19-11-13-21-45(40)54(3,4)49(42)33-38)50-30-24-35-17-14-22-46-51(35)52(50)43-27-23-36(31-47(43)55(46,5)6)34-15-8-7-9-16-34/h7-33H,1-6H3
InChIKeyRDVYGSZZZABJSB-UHFFFAOYSA-N
XLogP14.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232078
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
CID 139498825
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232102
7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232547
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118
N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine
CID 139499012
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232212
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine (CID 167232083) is N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4cccc5c4c3-c3ccc(-c4ccccc4)cc3C5(C)C)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine?
The InChIKey is RDVYGSZZZABJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-53(2)44-20-12-10-18-39(44)41-28-25-37(32-48(41)53)56(38-26-29-42-40-19-11-13-21-45(40)54(3,4)49(42)33-38)50-30-24-35-17-14-22-46-51(35)52(50)43-27-23-36(31-47(43)55(46,5)6)34-15-8-7-9-16-34/h7-33H,1-6H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine has a molecular weight of 719.97 g/mol, XLogP of 14.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine is sourced from PubChem (CID 167232083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).