N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine

C46H37N — CID 138623042

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)c4ccccc4c3)cc21
InChIInChI=1S/C46H37N/c1-45(2)41-20-12-10-18-36(41)38-24-22-32(28-43(38)45)47(33-23-25-39-37-19-11-13-21-42(37)46(3,4)44(39)29-33)34-26-31-16-8-9-17-35(31)40(27-34)30-14-6-5-7-15-30/h5-29H,1-4H3
InChIKeyNAPWXBMWZBEZPI-UHFFFAOYSA-N
MW603.81 g/mol
LogP12.59
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine (PubChem CID 138623042) has the molecular formula C46H37N and a molecular weight of 603.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
PubChem CID138623042
Molecular FormulaC46H37N
Molecular Weight603.81 g/mol
Exact Mass603.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)c4ccccc4c3)cc21
InChIInChI=1S/C46H37N/c1-45(2)41-20-12-10-18-36(41)38-24-22-32(28-43(38)45)47(33-23-25-39-37-19-11-13-21-42(37)46(3,4)44(39)29-33)34-26-31-16-8-9-17-35(31)40(27-34)30-14-6-5-7-15-30/h5-29H,1-4H3
InChIKeyNAPWXBMWZBEZPI-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.81
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139355272
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
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-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 58050488
N-(4-benzo[c]phenanthren-6-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167184350
N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438871
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine (CID 138623042) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)c4ccccc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine?
The InChIKey is NAPWXBMWZBEZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N/c1-45(2)41-20-12-10-18-36(41)38-24-22-32(28-43(38)45)47(33-23-25-39-37-19-11-13-21-42(37)46(3,4)44(39)29-33)34-26-31-16-8-9-17-35(31)40(27-34)30-14-6-5-7-15-30/h5-29H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine has a molecular weight of 603.81 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 138623042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).