N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine

C51H45N — CID 163615776

IUPACN-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3ccc(-c5cccc(-c6ccccc6)c5)cc3-4)c21
InChIInChI=1S/C51H45N/c1-49(2)44-25-14-13-23-40(44)42-24-16-26-47(48(42)49)52(38-21-11-8-12-22-38)39-28-29-41-43-32-37(27-30-45(43)50(3,4)51(5,6)46(41)33-39)36-20-15-19-35(31-36)34-17-9-7-10-18-34/h7-33H,1-6H3
InChIKeyGUUYYIKSALUKBT-UHFFFAOYSA-N
MW671.93 g/mol
LogP14.03
Rot. Bonds5

About N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine

N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine (PubChem CID 163615776) has the molecular formula C51H45N and a molecular weight of 671.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine
PubChem CID163615776
Molecular FormulaC51H45N
Molecular Weight671.93 g/mol
Exact Mass671.36
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3ccc(-c5cccc(-c6ccccc6)c5)cc3-4)c21
InChIInChI=1S/C51H45N/c1-49(2)44-25-14-13-23-40(44)42-24-16-26-47(48(42)49)52(38-21-11-8-12-22-38)39-28-29-41-43-32-37(27-30-45(43)50(3,4)51(5,6)46(41)33-39)36-20-15-19-35(31-36)34-17-9-7-10-18-34/h7-33H,1-6H3
InChIKeyGUUYYIKSALUKBT-UHFFFAOYSA-N
XLogP14.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.93
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-[4-(N-(9,9-dimethylfluoren-1-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine;N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-1-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-3-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-4-amine
CID 160533887
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
CID 176764801
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
9,9,10,10-tetramethyl-7-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)-N-(9,9,10,10-tetramethylphenanthren-3-yl)phenanthren-4-amine
CID 163606752
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 159131149
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 159322510
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine (CID 163615776) is N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3ccc(-c5cccc(-c6ccccc6)c5)cc3-4)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine?
The InChIKey is GUUYYIKSALUKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N/c1-49(2)44-25-14-13-23-40(44)42-24-16-26-47(48(42)49)52(38-21-11-8-12-22-38)39-28-29-41-43-32-37(27-30-45(43)50(3,4)51(5,6)46(41)33-39)36-20-15-19-35(31-36)34-17-9-7-10-18-34/h7-33H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine?
N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine has a molecular weight of 671.93 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 163615776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).