9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine

C55H39N — CID 142614599

IUPAC9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)cc21
InChIInChI=1S/C55H39N/c1-55(2)53-14-8-7-13-49(53)50-32-31-46(35-54(50)55)56(44-27-23-36(24-28-44)42-21-19-40-17-15-38-9-3-5-11-47(38)51(40)33-42)45-29-25-37(26-30-45)43-22-20-41-18-16-39-10-4-6-12-48(39)52(41)34-43/h3-35H,1-2H3
InChIKeyLBCOPYFZCPWSCV-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

About 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine

9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine (PubChem CID 142614599) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
PubChem CID142614599
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC Name9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)cc21
InChIInChI=1S/C55H39N/c1-55(2)53-14-8-7-13-49(53)50-32-31-46(35-54(50)55)56(44-27-23-36(24-28-44)42-21-19-40-17-15-38-9-3-5-11-47(38)51(40)33-42)45-29-25-37(26-30-45)43-22-20-41-18-16-39-10-4-6-12-48(39)52(41)34-43/h3-35H,1-2H3
InChIKeyLBCOPYFZCPWSCV-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine
CID 169277528
N-(4-chrysen-3-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 170139377
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
11,11,12,12-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)indeno[2,1-a]fluoren-2-amine
CID 118122816
9,9-dimethyl-N,N-bis(4-phenanthren-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158135143
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464839
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 58050488

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine (CID 142614599) is 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine?
The InChIKey is LBCOPYFZCPWSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)53-14-8-7-13-49(53)50-32-31-46(35-54(50)55)56(44-27-23-36(24-28-44)42-21-19-40-17-15-38-9-3-5-11-47(38)51(40)33-42)45-29-25-37(26-30-45)43-22-20-41-18-16-39-10-4-6-12-48(39)52(41)34-43/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine has a molecular weight of 713.92 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 142614599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).