N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C60H55N — CID 170115491

IUPACN-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1CC2CC(C)CC(c3ccc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)cc3)(C1)C2
InChIInChI=1S/C60H55N/c1-40-34-42-35-41(2)38-60(37-40,39-42)47-28-32-49(33-29-47)61(50-19-10-18-46(36-50)53-23-13-24-55-54-20-8-9-25-56(54)59(3,4)58(53)55)48-30-26-44(27-31-48)52-22-12-17-45-16-11-21-51(57(45)52)43-14-6-5-7-15-43/h5-33,36,40-42H,34-35,37-39H2,1-4H3
InChIKeyLMIOTJRENAJGSQ-UHFFFAOYSA-N
MW790.11 g/mol
LogP16.72
Rot. Bonds7

About N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170115491) has the molecular formula C60H55N and a molecular weight of 790.11 g/mol. Its IUPAC name is N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170115491
Molecular FormulaC60H55N
Molecular Weight790.11 g/mol
Exact Mass789.43
IUPAC NameN-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1CC2CC(C)CC(c3ccc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)cc3)(C1)C2
InChIInChI=1S/C60H55N/c1-40-34-42-35-41(2)38-60(37-40,39-42)47-28-32-49(33-29-47)61(50-19-10-18-46(36-50)53-23-13-24-55-54-20-8-9-25-56(54)59(3,4)58(53)55)48-30-26-44(27-31-48)52-22-12-17-45-16-11-21-51(57(45)52)43-14-6-5-7-15-43/h5-33,36,40-42H,34-35,37-39H2,1-4H3
InChIKeyLMIOTJRENAJGSQ-UHFFFAOYSA-N
XLogP16.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.11
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 169028316
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
CID 169028376
7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 169028750
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 154972905
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170115491) is N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1CC2CC(C)CC(c3ccc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)cc3)(C1)C2.
What is the InChIKey of N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is LMIOTJRENAJGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H55N/c1-40-34-42-35-41(2)38-60(37-40,39-42)47-28-32-49(33-29-47)61(50-19-10-18-46(36-50)53-23-13-24-55-54-20-8-9-25-56(54)59(3,4)58(53)55)48-30-26-44(27-31-48)52-22-12-17-45-16-11-21-51(57(45)52)43-14-6-5-7-15-43/h5-33,36,40-42H,34-35,37-39H2,1-4H3.
What are the key properties of N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 790.11 g/mol, XLogP of 16.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170115491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).