N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine

C56H39N — CID 167232152

IUPACN-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C56H39N/c1-55(2)47-33-30-39(34-46(47)54-41(36-16-5-3-6-17-36)31-28-37-18-15-27-51(55)53(37)54)57(38-19-7-4-8-20-38)40-29-32-45-44-23-11-14-26-50(44)56(52(45)35-40)48-24-12-9-21-42(48)43-22-10-13-25-49(43)56/h3-35H,1-2H3
InChIKeyKEGKQIVBXRVNEU-UHFFFAOYSA-N
MW725.94 g/mol
LogP14.63
Rot. Bonds4

About N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine

N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167232152) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID167232152
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C56H39N/c1-55(2)47-33-30-39(34-46(47)54-41(36-16-5-3-6-17-36)31-28-37-18-15-27-51(55)53(37)54)57(38-19-7-4-8-20-38)40-29-32-45-44-23-11-14-26-50(44)56(52(45)35-40)48-24-12-9-21-42(48)43-22-10-13-25-49(43)56/h3-35H,1-2H3
InChIKeyKEGKQIVBXRVNEU-UHFFFAOYSA-N
XLogP14.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232157
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-1-naphthalen-2-yl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232049
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812085
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
5-[4'-[3,5-bis(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-3-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 121361265
N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811963
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167232104
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 167232152) is N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2-c2c(-c3ccccc3)ccc3cccc1c23.
What is the InChIKey of N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is KEGKQIVBXRVNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-55(2)47-33-30-39(34-46(47)54-41(36-16-5-3-6-17-36)31-28-37-18-15-27-51(55)53(37)54)57(38-19-7-4-8-20-38)40-29-32-45-44-23-11-14-26-50(44)56(52(45)35-40)48-24-12-9-21-42(48)43-22-10-13-25-49(43)56/h3-35H,1-2H3.
What are the key properties of N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 725.94 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167232152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).