N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine

C69H52N2O2 — CID 138582679

IUPACN-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine
SMILESC/C=C\C1=C(C)C2(c3ccccc31)c1ccccc1-c1c2ccc2c1Oc1cccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4CC5)cc3)c3cccc(N4c5ccccc5C5C=CCCC54)c3)c1O2
InChIInChI=1S/C69H52N2O2/c1-3-16-51-43(2)69(58-25-10-6-21-53(51)58)59-26-11-7-24-56(59)66-60(69)39-40-65-68(66)73-64-30-15-29-63(67(64)72-65)70(49-18-14-19-50(42-49)71-61-27-12-8-22-54(61)55-23-9-13-28-62(55)71)48-37-35-44(36-38-48)47-34-33-46-32-31-45-17-4-5-20-52(45)57(46)41-47/h3-12,14-27,29-30,33-42,55,62H,13,28,31-32H2,1-2H3/b16-3-
InChIKeyNGHLKHVVVAMVEB-XFQLMFQHSA-N
MW941.19 g/mol
LogP18.12
Rot. Bonds6

About N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine

N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine (PubChem CID 138582679) has the molecular formula C69H52N2O2 and a molecular weight of 941.19 g/mol. Its IUPAC name is N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine.

Molecular Properties

Compound NameN-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine
PubChem CID138582679
Molecular FormulaC69H52N2O2
Molecular Weight941.19 g/mol
Exact Mass940.40
IUPAC NameN-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine
SMILESC/C=C\C1=C(C)C2(c3ccccc31)c1ccccc1-c1c2ccc2c1Oc1cccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4CC5)cc3)c3cccc(N4c5ccccc5C5C=CCCC54)c3)c1O2
InChIInChI=1S/C69H52N2O2/c1-3-16-51-43(2)69(58-25-10-6-21-53(51)58)59-26-11-7-24-56(59)66-60(69)39-40-65-68(66)73-64-30-15-29-63(67(64)72-65)70(49-18-14-19-50(42-49)71-61-27-12-8-22-54(61)55-23-9-13-28-62(55)71)48-37-35-44(36-38-48)47-34-33-46-32-31-45-17-4-5-20-52(45)57(46)41-47/h3-12,14-27,29-30,33-42,55,62H,13,28,31-32H2,1-2H3/b16-3-
InChIKeyNGHLKHVVVAMVEB-XFQLMFQHSA-N
XLogP18.12
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine with MolForge

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Related Compounds

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582046
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582682
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
CID 138582355
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435
N-cyclohexa-2,4-dien-1-yl-N-[4-[4'-[4-(N-[3-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]phenyl]-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)aniline
CID 88985239
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine
CID 138582677
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138581462
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine
CID 138582687
N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine
CID 166864247
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The IUPAC name of N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine (CID 138582679) is N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine.
What is the SMILES notation for N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The canonical SMILES for N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine is C/C=C\C1=C(C)C2(c3ccccc31)c1ccccc1-c1c2ccc2c1Oc1cccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4CC5)cc3)c3cccc(N4c5ccccc5C5C=CCCC54)c3)c1O2.
What is the InChIKey of N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The InChIKey is NGHLKHVVVAMVEB-XFQLMFQHSA-N. The full InChI is InChI=1S/C69H52N2O2/c1-3-16-51-43(2)69(58-25-10-6-21-53(51)58)59-26-11-7-24-56(59)66-60(69)39-40-65-68(66)73-64-30-15-29-63(67(64)72-65)70(49-18-14-19-50(42-49)71-61-27-12-8-22-54(61)55-23-9-13-28-62(55)71)48-37-35-44(36-38-48)47-34-33-46-32-31-45-17-4-5-20-52(45)57(46)41-47/h3-12,14-27,29-30,33-42,55,62H,13,28,31-32H2,1-2H3/b16-3-.
What are the key properties of N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine?
N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine has a molecular weight of 941.19 g/mol, XLogP of 18.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-N-[4-(9,10-dihydrophenanthren-3-yl)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]spiro[indene-1,8'-indeno[1,2-a]oxanthrene]-4'-amine is sourced from PubChem (CID 138582679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).