N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine

C59H42N2 — CID 89296864

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccccc6c5)ccc3-4)c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc21
InChIInChI=1S/C59H42N2/c1-58(2)50-14-8-7-13-44(50)46-24-21-42(33-52(46)58)61(54-28-20-36-16-18-40-31-41-12-9-29-60-57(41)49-27-26-48(54)55(36)56(40)49)43-22-25-47-45-23-19-39(32-51(45)59(3,4)53(47)34-43)38-17-15-35-10-5-6-11-37(35)30-38/h5-34H,1-4H3
InChIKeyYVNFDCXBSBKKGP-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.03
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine (PubChem CID 89296864) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine
PubChem CID89296864
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccccc6c5)ccc3-4)c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc21
InChIInChI=1S/C59H42N2/c1-58(2)50-14-8-7-13-44(50)46-24-21-42(33-52(46)58)61(54-28-20-36-16-18-40-31-41-12-9-29-60-57(41)49-27-26-48(54)55(36)56(40)49)43-22-25-47-45-23-19-39(32-51(45)59(3,4)53(47)34-43)38-17-15-35-10-5-6-11-37(35)30-38/h5-34H,1-4H3
InChIKeyYVNFDCXBSBKKGP-UHFFFAOYSA-N
XLogP16.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410938
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
9,9-dimethyl-N,7-dinaphthalen-2-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321537
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine
CID 134432413
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)benzo[c]phenanthren-2-amine
CID 167182297
N-(9,9-dimethylfluoren-2-yl)-N-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 134464828
9,9-dimethyl-2-N,7-N-di(pyren-1-yl)-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine
CID 58883934
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[c]fluoren-4-amine
CID 146364512
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine (CID 89296864) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccccc6c5)ccc3-4)c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine?
The InChIKey is YVNFDCXBSBKKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-58(2)50-14-8-7-13-44(50)46-24-21-42(33-52(46)58)61(54-28-20-36-16-18-40-31-41-12-9-29-60-57(41)49-27-26-48(54)55(36)56(40)49)43-22-25-47-45-23-19-39(32-51(45)59(3,4)53(47)34-43)38-17-15-35-10-5-6-11-37(35)30-38/h5-34H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine has a molecular weight of 779.00 g/mol, XLogP of 16.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine is sourced from PubChem (CID 89296864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).